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4-Acetoxy alprazolam

CAT: 0926-FA16955-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FA16955-01Size:2 mg
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CAS Number
30896-67-4
Synonyms
8-Chloro-4-hydroxy-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine acetate
MDL Number
MFCD09839815
Smiles
CC1=NN=C2N1C3=C (C=C (C=C3) Cl) C (=NC2OC (=O) C) C4=CC=CC=C4
Molecular Formula
C19H15ClN4O2
Molecular Weight
366.8 g/mol
Controlled
Yes

Chemical Information

4-Acetoxy Alprazolam
CAS Number30896-67-4
PubChem CID12632262
IUPAC Name(8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl) acetate
Molecular FormulaC19H15ClN4O2
Molecular Weight366.8
XLogP2.1
Topological Polar Surface Area69.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity566
SMILES
CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2OC(=O)C)C4=CC=CC=C4
InChI
InChI=1S/C19H15ClN4O2/c1-11-22-23-18-19(26-12(2)25)21-17(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)24(11)18/h3-10,19H,1-2H3
InChIKey
WDUQGVUFUFUTIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Acetoxy Alprazolam
CAS: 30896-67-4
CID: 12632262
Formula: C19H15ClN4O2
MW: 366.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.8
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass366.0883534
Monoisotopic Mass366.0883534
Topological Polar Surface Area69.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-A164280-5MG4-Acetoxy Alprazolam
258739-014-Acetoxy alprazolam discontinued
AR-A06037-01Alprazolam Impurity 4
HY-115354-014-Hydroxy alprazolam
HY-115354S4-Hydroxy Alprazolam-d5
TRC-H827850-50MG4-Hydroxy Alprazolam (Compd. with methanol)
TRC-H827852-75MG4-Hydroxy Alprazolam-d3 Methanoate
1613974-Hydroxy Alprazolam-d3 Methanoate discontinued
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TRC-M331525-100MG1-Methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine(8-Deschloro Alprazolam)

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